CONFLIST BPB        BPBBK BPB01 BPB-1

NATOM    BPBBK      18
NATOM    BPB01      84
NATOM    BPB-1      84


IATOM    BPBBK  C3  0
IATOM    BPBBK  C4  1
IATOM    BPBBK  C5  2
IATOM    BPBBK  C6  3
IATOM    BPBBK  C7  4
IATOM    BPBBK  C8  5
IATOM    BPBBK  C9  6
IATOM    BPBBK  C10 7
IATOM    BPBBK  C11 8
IATOM    BPBBK  C12 9
IATOM    BPBBK  C13 10
IATOM    BPBBK  C14 11
IATOM    BPBBK  C15 12
IATOM    BPBBK  C16 13
IATOM    BPBBK  C17 14
IATOM    BPBBK  C18 15
IATOM    BPBBK  C19 16
IATOM    BPBBK  C20 17
IATOM    BPB01  CHA 0
IATOM    BPB01  CHB 1
IATOM    BPB01  CHC 2
IATOM    BPB01  CHD 3
IATOM    BPB01  N A 4
IATOM    BPB01  C1A 5
IATOM    BPB01  C2A 6
IATOM    BPB01  C3A 7
IATOM    BPB01  C4A 8
IATOM    BPB01  CMA 9
IATOM    BPB01  CAA 10
IATOM    BPB01  CBA 11
IATOM    BPB01  CGA 12
IATOM    BPB01  O1A 13
IATOM    BPB01  O2A 14
IATOM    BPB01  N B 15
IATOM    BPB01  C1B 16
IATOM    BPB01  C2B 17
IATOM    BPB01  C3B 18
IATOM    BPB01  C4B 19
IATOM    BPB01  CMB 20
IATOM    BPB01  CAB 21
IATOM    BPB01  OBB 22
IATOM    BPB01  CBB 23
IATOM    BPB01  N C 24
IATOM    BPB01  C1C 25
IATOM    BPB01  C2C 26
IATOM    BPB01  C3C 27
IATOM    BPB01  C4C 28
IATOM    BPB01  CMC 29
IATOM    BPB01  CAC 30
IATOM    BPB01  CBC 31
IATOM    BPB01  N D 32
IATOM    BPB01  C1D 33
IATOM    BPB01  C2D 34
IATOM    BPB01  C3D 35
IATOM    BPB01  C4D 36
IATOM    BPB01  CMD 37
IATOM    BPB01  CAD 38
IATOM    BPB01  OBD 39
IATOM    BPB01  CBD 40
IATOM    BPB01  CGD 41
IATOM    BPB01  O1D 42
IATOM    BPB01  O2D 43
IATOM    BPB01  CED 44
IATOM    BPB01  C1  45
IATOM    BPB01  C2  46
IATOM    BPB01  HNB 47
IATOM    BPB01  HND 48
IATOM    BPB01  HHB 49
IATOM    BPB01  HHC 50
IATOM    BPB01  HHD 51
IATOM    BPB01  H2A 52
IATOM    BPB01  H3A 53
IATOM    BPB01 1HMA 54
IATOM    BPB01 2HMA 55
IATOM    BPB01 3HMA 56
IATOM    BPB01 1HAA 57
IATOM    BPB01 2HAA 58
IATOM    BPB01 1HBA 59
IATOM    BPB01 2HBA 60
IATOM    BPB01 1HMB 61
IATOM    BPB01 2HMB 62
IATOM    BPB01 3HMB 63
IATOM    BPB01 1HBB 64
IATOM    BPB01 2HBB 65
IATOM    BPB01 3HBB 66
IATOM    BPB01 1HMC 67
IATOM    BPB01 2HMC 68
IATOM    BPB01 3HMC 69
IATOM    BPB01 1HAC 70
IATOM    BPB01 1HBC 71
IATOM    BPB01 2HBC 72
IATOM    BPB01 3HBC 73
IATOM    BPB01 1HMD 74
IATOM    BPB01 2HMD 75
IATOM    BPB01 3HMD 76
IATOM    BPB01  HBD 77
IATOM    BPB01 1HED 78
IATOM    BPB01 2HED 79
IATOM    BPB01 3HED 80
IATOM    BPB01 1H1  81
IATOM    BPB01 2H1  82
IATOM    BPB01  H2  83
IATOM    BPB-1  CHA 0
IATOM    BPB-1  CHB 1
IATOM    BPB-1  CHC 2
IATOM    BPB-1  CHD 3
IATOM    BPB-1  N A 4
IATOM    BPB-1  C1A 5
IATOM    BPB-1  C2A 6
IATOM    BPB-1  C3A 7
IATOM    BPB-1  C4A 8
IATOM    BPB-1  CMA 9
IATOM    BPB-1  CAA 10
IATOM    BPB-1  CBA 11
IATOM    BPB-1  CGA 12
IATOM    BPB-1  O1A 13
IATOM    BPB-1  O2A 14
IATOM    BPB-1  N B 15
IATOM    BPB-1  C1B 16
IATOM    BPB-1  C2B 17
IATOM    BPB-1  C3B 18
IATOM    BPB-1  C4B 19
IATOM    BPB-1  CMB 20
IATOM    BPB-1  CAB 21
IATOM    BPB-1  OBB 22
IATOM    BPB-1  CBB 23
IATOM    BPB-1  N C 24
IATOM    BPB-1  C1C 25
IATOM    BPB-1  C2C 26
IATOM    BPB-1  C3C 27
IATOM    BPB-1  C4C 28
IATOM    BPB-1  CMC 29
IATOM    BPB-1  CAC 30
IATOM    BPB-1  CBC 31
IATOM    BPB-1  N D 32
IATOM    BPB-1  C1D 33
IATOM    BPB-1  C2D 34
IATOM    BPB-1  C3D 35
IATOM    BPB-1  C4D 36
IATOM    BPB-1  CMD 37
IATOM    BPB-1  CAD 38
IATOM    BPB-1  OBD 39
IATOM    BPB-1  CBD 40
IATOM    BPB-1  CGD 41
IATOM    BPB-1  O1D 42
IATOM    BPB-1  O2D 43
IATOM    BPB-1  CED 44
IATOM    BPB-1  C1  45
IATOM    BPB-1  C2  46
IATOM    BPB-1  HNB 47
IATOM    BPB-1  HND 48
IATOM    BPB-1  HHB 49
IATOM    BPB-1  HHC 50
IATOM    BPB-1  HHD 51
IATOM    BPB-1  H2A 52
IATOM    BPB-1  H3A 53
IATOM    BPB-1 1HMA 54
IATOM    BPB-1 2HMA 55
IATOM    BPB-1 3HMA 56
IATOM    BPB-1 1HAA 57
IATOM    BPB-1 2HAA 58
IATOM    BPB-1 1HBA 59
IATOM    BPB-1 2HBA 60
IATOM    BPB-1 1HMB 61
IATOM    BPB-1 2HMB 62
IATOM    BPB-1 3HMB 63
IATOM    BPB-1 1HBB 64
IATOM    BPB-1 2HBB 65
IATOM    BPB-1 3HBB 66
IATOM    BPB-1 1HMC 67
IATOM    BPB-1 2HMC 68
IATOM    BPB-1 3HMC 69
IATOM    BPB-1 1HAC 70
IATOM    BPB-1 1HBC 71
IATOM    BPB-1 2HBC 72
IATOM    BPB-1 3HBC 73
IATOM    BPB-1 1HMD 74
IATOM    BPB-1 2HMD 75
IATOM    BPB-1 3HMD 76
IATOM    BPB-1  HBD 77
IATOM    BPB-1 1HED 78
IATOM    BPB-1 2HED 79
IATOM    BPB-1 3HED 80
IATOM    BPB-1 1H1  81
IATOM    BPB-1 2H1  82
IATOM    BPB-1  H2  83



ATOMNAME BPBBK    0  C3
ATOMNAME BPBBK    1  C4
ATOMNAME BPBBK    2  C5
ATOMNAME BPBBK    3  C6
ATOMNAME BPBBK    4  C7
ATOMNAME BPBBK    5  C8
ATOMNAME BPBBK    6  C9
ATOMNAME BPBBK    7  C10
ATOMNAME BPBBK    8  C11
ATOMNAME BPBBK    9  C12
ATOMNAME BPBBK   10  C13
ATOMNAME BPBBK   11  C14
ATOMNAME BPBBK   12  C15
ATOMNAME BPBBK   13  C16
ATOMNAME BPBBK   14  C17
ATOMNAME BPBBK   15  C18
ATOMNAME BPBBK   16  C19
ATOMNAME BPBBK   17  C20
ATOMNAME BPB01    0  CHA
ATOMNAME BPB01    1  CHB
ATOMNAME BPB01    2  CHC
ATOMNAME BPB01    3  CHD
ATOMNAME BPB01    4  N A
ATOMNAME BPB01    5  C1A
ATOMNAME BPB01    6  C2A
ATOMNAME BPB01    7  C3A
ATOMNAME BPB01    8  C4A
ATOMNAME BPB01    9  CMA
ATOMNAME BPB01   10  CAA
ATOMNAME BPB01   11  CBA
ATOMNAME BPB01   12  CGA
ATOMNAME BPB01   13  O1A
ATOMNAME BPB01   14  O2A
ATOMNAME BPB01   15  N B
ATOMNAME BPB01   16  C1B
ATOMNAME BPB01   17  C2B
ATOMNAME BPB01   18  C3B
ATOMNAME BPB01   19  C4B
ATOMNAME BPB01   20  CMB
ATOMNAME BPB01   21  CAB
ATOMNAME BPB01   22  OBB
ATOMNAME BPB01   23  CBB
ATOMNAME BPB01   24  N C
ATOMNAME BPB01   25  C1C
ATOMNAME BPB01   26  C2C
ATOMNAME BPB01   27  C3C
ATOMNAME BPB01   28  C4C
ATOMNAME BPB01   29  CMC
ATOMNAME BPB01   30  CAC
ATOMNAME BPB01   31  CBC
ATOMNAME BPB01   32  N D
ATOMNAME BPB01   33  C1D
ATOMNAME BPB01   34  C2D
ATOMNAME BPB01   35  C3D
ATOMNAME BPB01   36  C4D
ATOMNAME BPB01   37  CMD
ATOMNAME BPB01   38  CAD
ATOMNAME BPB01   39  OBD
ATOMNAME BPB01   40  CBD
ATOMNAME BPB01   41  CGD
ATOMNAME BPB01   42  O1D
ATOMNAME BPB01   43  O2D
ATOMNAME BPB01   44  CED
ATOMNAME BPB01   45  C1
ATOMNAME BPB01   46  C2
ATOMNAME BPB01   47  HNB
ATOMNAME BPB01   48  HND
ATOMNAME BPB01   49  HHB
ATOMNAME BPB01   50  HHC
ATOMNAME BPB01   51  HHD
ATOMNAME BPB01   52  H2A
ATOMNAME BPB01   53  H3A
ATOMNAME BPB01   54 1HMA
ATOMNAME BPB01   55 2HMA
ATOMNAME BPB01   56 3HMA
ATOMNAME BPB01   57 1HAA
ATOMNAME BPB01   58 2HAA
ATOMNAME BPB01   59 1HBA
ATOMNAME BPB01   60 2HBA
ATOMNAME BPB01   61 1HMB
ATOMNAME BPB01   62 2HMB
ATOMNAME BPB01   63 3HMB
ATOMNAME BPB01   64 1HBB
ATOMNAME BPB01   65 2HBB
ATOMNAME BPB01   66 3HBB
ATOMNAME BPB01   67 1HMC
ATOMNAME BPB01   68 2HMC
ATOMNAME BPB01   69 3HMC
ATOMNAME BPB01   70 1HAC
ATOMNAME BPB01   71 1HBC
ATOMNAME BPB01   72 2HBC
ATOMNAME BPB01   73 3HBC
ATOMNAME BPB01   74 1HMD
ATOMNAME BPB01   75 2HMD
ATOMNAME BPB01   76 3HMD
ATOMNAME BPB01   77  HBD
ATOMNAME BPB01   78 1HED
ATOMNAME BPB01   79 2HED
ATOMNAME BPB01   80 3HED
ATOMNAME BPB01   81 1H1
ATOMNAME BPB01   82 2H1
ATOMNAME BPB01   83  H2
ATOMNAME BPB-1    0  CHA
ATOMNAME BPB-1    1  CHB
ATOMNAME BPB-1    2  CHC
ATOMNAME BPB-1    3  CHD
ATOMNAME BPB-1    4  N A
ATOMNAME BPB-1    5  C1A
ATOMNAME BPB-1    6  C2A
ATOMNAME BPB-1    7  C3A
ATOMNAME BPB-1    8  C4A
ATOMNAME BPB-1    9  CMA
ATOMNAME BPB-1   10  CAA
ATOMNAME BPB-1   11  CBA
ATOMNAME BPB-1   12  CGA
ATOMNAME BPB-1   13  O1A
ATOMNAME BPB-1   14  O2A
ATOMNAME BPB-1   15  N B
ATOMNAME BPB-1   16  C1B
ATOMNAME BPB-1   17  C2B
ATOMNAME BPB-1   18  C3B
ATOMNAME BPB-1   19  C4B
ATOMNAME BPB-1   20  CMB
ATOMNAME BPB-1   21  CAB
ATOMNAME BPB-1   22  OBB
ATOMNAME BPB-1   23  CBB
ATOMNAME BPB-1   24  N C
ATOMNAME BPB-1   25  C1C
ATOMNAME BPB-1   26  C2C
ATOMNAME BPB-1   27  C3C
ATOMNAME BPB-1   28  C4C
ATOMNAME BPB-1   29  CMC
ATOMNAME BPB-1   30  CAC
ATOMNAME BPB-1   31  CBC
ATOMNAME BPB-1   32  N D
ATOMNAME BPB-1   33  C1D
ATOMNAME BPB-1   34  C2D
ATOMNAME BPB-1   35  C3D
ATOMNAME BPB-1   36  C4D
ATOMNAME BPB-1   37  CMD
ATOMNAME BPB-1   38  CAD
ATOMNAME BPB-1   39  OBD
ATOMNAME BPB-1   40  CBD
ATOMNAME BPB-1   41  CGD
ATOMNAME BPB-1   42  O1D
ATOMNAME BPB-1   43  O2D
ATOMNAME BPB-1   44  CED
ATOMNAME BPB-1   45  C1
ATOMNAME BPB-1   46  C2
ATOMNAME BPB-1   47  HNB
ATOMNAME BPB-1   48  HND
ATOMNAME BPB-1   49  HHB
ATOMNAME BPB-1   50  HHC
ATOMNAME BPB-1   51  HHD
ATOMNAME BPB-1   52  H2A
ATOMNAME BPB-1   53  H3A
ATOMNAME BPB-1   54 1HMA
ATOMNAME BPB-1   55 2HMA
ATOMNAME BPB-1   56 3HMA
ATOMNAME BPB-1   57 1HAA
ATOMNAME BPB-1   58 2HAA
ATOMNAME BPB-1   59 1HBA
ATOMNAME BPB-1   60 2HBA
ATOMNAME BPB-1   61 1HMB
ATOMNAME BPB-1   62 2HMB
ATOMNAME BPB-1   63 3HMB
ATOMNAME BPB-1   64 1HBB
ATOMNAME BPB-1   65 2HBB
ATOMNAME BPB-1   66 3HBB
ATOMNAME BPB-1   67 1HMC
ATOMNAME BPB-1   68 2HMC
ATOMNAME BPB-1   69 3HMC
ATOMNAME BPB-1   70 1HAC
ATOMNAME BPB-1   71 1HBC
ATOMNAME BPB-1   72 2HBC
ATOMNAME BPB-1   73 3HBC
ATOMNAME BPB-1   74 1HMD
ATOMNAME BPB-1   75 2HMD
ATOMNAME BPB-1   76 3HMD
ATOMNAME BPB-1   77  HBD
ATOMNAME BPB-1   78 1HED
ATOMNAME BPB-1   79 2HED
ATOMNAME BPB-1   80 3HED
ATOMNAME BPB-1   81 1H1
ATOMNAME BPB-1   82 2H1
ATOMNAME BPB-1   83  H2




PROTON   BPB01      0
PROTON   BPB-1      0


PKA      BPB01      0.0
PKA      BPB-1      0.0


ELECTRON BPB01      0
ELECTRON BPB-1      1


EM       BPB01      0.0
EM       BPB-1      0.0


RXN      BPB01      -7.35000
RXN      BPB-1      -14.6445


#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  BPBBK  C3  sp2       0     C2  0     C4  0     C5
CONNECT  BPBBK  C4  sp3       0     C3
CONNECT  BPBBK  C5  sp3       0     C3  0     C6
CONNECT  BPBBK  C6  sp3       0     C5  0     C7
CONNECT  BPBBK  C7  sp3       0     C6  0     C8
CONNECT  BPBBK  C8  sp3       0     C7  0     C9  0     C10
CONNECT  BPBBK  C9  sp3       0     C8
CONNECT  BPBBK  C10 sp3       0     C8  0     C11
CONNECT  BPBBK  C11 sp3       0     C10 0     C12
CONNECT  BPBBK  C12 sp3       0     C11 0     C13
CONNECT  BPBBK  C13 sp3       0     C12 0     C14 0     C15
CONNECT  BPBBK  C14 sp3       0     C13
CONNECT  BPBBK  C15 sp3       0     C13 0     C16
CONNECT  BPBBK  C16 sp3       0     C15 0     C17
CONNECT  BPBBK  C17 sp3       0     C16 0     C18
CONNECT  BPBBK  C18 sp3       0     C17 0     C19 0     C20
CONNECT  BPBBK  C19 sp3       0     C18
CONNECT  BPBBK  C20 sp3       0     C18
CONNECT  BPB01  CHA sp2       0     C1A 0     C4D 0     CBD
CONNECT  BPB01  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  BPB01  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  BPB01  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  BPB01  N A sp2       0     C1A 0     C4A
CONNECT  BPB01  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  BPB01  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  BPB01  C3A sp3       0     C2A 0     C4A 0     CMA 0     H3A
CONNECT  BPB01  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  BPB01  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  BPB01  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  BPB01  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  BPB01  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  BPB01  O1A s         0     CGA
CONNECT  BPB01  O2A sp        0     CGA 0     C1
CONNECT  BPB01  N B sp2       0     C1B 0     C4B 0     HNB
CONNECT  BPB01  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  BPB01  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  BPB01  C3B sp2       0     C2B 0     C4B 0     CAB
CONNECT  BPB01  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  BPB01  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  BPB01  CAB sp2       0     C3B 0     CBB 0     OBB
CONNECT  BPB01  OBB s         0     CAB
CONNECT  BPB01  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  BPB01  N C sp2       0     C1C 0     C4C
CONNECT  BPB01  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  BPB01  C2C sp3       0     C1C 0     C3C 0     CMC
CONNECT  BPB01  C3C sp3       0     C2C 0     C4C 0     CAC
CONNECT  BPB01  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  BPB01  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  BPB01  CAC sp2       0     C3C 0     CBC 0    1HAC
CONNECT  BPB01  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  BPB01  N D sp2       0     C1D 0     C4D 0     HND
CONNECT  BPB01  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  BPB01  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  BPB01  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  BPB01  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  BPB01  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  BPB01  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  BPB01  OBD s         0     CAD
CONNECT  BPB01  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  BPB01  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  BPB01  O1D s         0     CGD
CONNECT  BPB01  O2D sp        0     CGD 0     CED
CONNECT  BPB01  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  BPB01  C1  sp3       0     O2A 0     C2  0    1H1  0    2H1
CONNECT  BPB01  C2  sp2       0     C1  0     C3  0     H2
CONNECT  BPB01  HNB s         0     N B
CONNECT  BPB01  HND s         0     N D
CONNECT  BPB01  HHB s         0     CHB
CONNECT  BPB01  HHC s         0     CHC
CONNECT  BPB01  HHD s         0     CHD
CONNECT  BPB01  H2A s         0     C2A
CONNECT  BPB01  H3A s         0     C3A
CONNECT  BPB01 1HMA s         0     CMA
CONNECT  BPB01 2HMA s         0     CMA
CONNECT  BPB01 3HMA s         0     CMA
CONNECT  BPB01 1HAA s         0     CAA
CONNECT  BPB01 2HAA s         0     CAA
CONNECT  BPB01 1HBA s         0     CBA
CONNECT  BPB01 2HBA s         0     CBA
CONNECT  BPB01 1HMB s         0     CMB
CONNECT  BPB01 2HMB s         0     CMB
CONNECT  BPB01 3HMB s         0     CMB
CONNECT  BPB01 1HBB s         0     CBB
CONNECT  BPB01 2HBB s         0     CBB
CONNECT  BPB01 3HBB s         0     CBB
CONNECT  BPB01 1HMC s         0     CMC
CONNECT  BPB01 2HMC s         0     CMC
CONNECT  BPB01 3HMC s         0     CMC
CONNECT  BPB01 1HAC s         0     CAC
CONNECT  BPB01 1HBC s         0     CBC
CONNECT  BPB01 2HBC s         0     CBC
CONNECT  BPB01 3HBC s         0     CBC
CONNECT  BPB01 1HMD s         0     CMD
CONNECT  BPB01 2HMD s         0     CMD
CONNECT  BPB01 3HMD s         0     CMD
CONNECT  BPB01  HBD s         0     CBD
CONNECT  BPB01 1HED s         0     CED
CONNECT  BPB01 2HED s         0     CED
CONNECT  BPB01 3HED s         0     CED
CONNECT  BPB01 1H1  s         0     C1
CONNECT  BPB01 2H1  s         0     C1
CONNECT  BPB01  H2  s         0     C2
CONNECT  BPB-1  CHA sp2       0     C1A 0     C4D 0     CBD
CONNECT  BPB-1  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  BPB-1  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  BPB-1  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  BPB-1  N A sp2       0     C1A 0     C4A
CONNECT  BPB-1  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  BPB-1  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  BPB-1  C3A sp3       0     C2A 0     C4A 0     CMA 0     H3A
CONNECT  BPB-1  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  BPB-1  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  BPB-1  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  BPB-1  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  BPB-1  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  BPB-1  O1A s         0     CGA
CONNECT  BPB-1  O2A sp        0     CGA 0     C1
CONNECT  BPB-1  N B sp2       0     C1B 0     C4B 0     HNB
CONNECT  BPB-1  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  BPB-1  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  BPB-1  C3B sp2       0     C2B 0     C4B 0     CAB
CONNECT  BPB-1  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  BPB-1  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  BPB-1  CAB sp2       0     C3B 0     CBB 0     OBB
CONNECT  BPB-1  OBB s         0     CAB
CONNECT  BPB-1  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  BPB-1  N C sp2       0     C1C 0     C4C
CONNECT  BPB-1  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  BPB-1  C2C sp3       0     C1C 0     C3C 0     CMC
CONNECT  BPB-1  C3C sp3       0     C2C 0     C4C 0     CAC
CONNECT  BPB-1  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  BPB-1  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  BPB-1  CAC sp2       0     C3C 0     CBC 0    1HAC
CONNECT  BPB-1  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  BPB-1  N D sp2       0     C1D 0     C4D 0     HND
CONNECT  BPB-1  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  BPB-1  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  BPB-1  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  BPB-1  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  BPB-1  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  BPB-1  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  BPB-1  OBD s         0     CAD
CONNECT  BPB-1  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  BPB-1  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  BPB-1  O1D s         0     CGD
CONNECT  BPB-1  O2D sp        0     CGD 0     CED
CONNECT  BPB-1  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  BPB-1  C1  sp3       0     O2A 0     C2  0    1H1  0    2H1
CONNECT  BPB-1  C2  sp2       0     C1  0     C3  0     H2
CONNECT  BPB-1  HNB s         0     N B
CONNECT  BPB-1  HND s         0     N D
CONNECT  BPB-1  HHB s         0     CHB
CONNECT  BPB-1  HHC s         0     CHC
CONNECT  BPB-1  HHD s         0     CHD
CONNECT  BPB-1  H2A s         0     C2A
CONNECT  BPB-1  H3A s         0     C3A
CONNECT  BPB-1 1HMA s         0     CMA
CONNECT  BPB-1 2HMA s         0     CMA
CONNECT  BPB-1 3HMA s         0     CMA
CONNECT  BPB-1 1HAA s         0     CAA
CONNECT  BPB-1 2HAA s         0     CAA
CONNECT  BPB-1 1HBA s         0     CBA
CONNECT  BPB-1 2HBA s         0     CBA
CONNECT  BPB-1 1HMB s         0     CMB
CONNECT  BPB-1 2HMB s         0     CMB
CONNECT  BPB-1 3HMB s         0     CMB
CONNECT  BPB-1 1HBB s         0     CBB
CONNECT  BPB-1 2HBB s         0     CBB
CONNECT  BPB-1 3HBB s         0     CBB
CONNECT  BPB-1 1HMC s         0     CMC
CONNECT  BPB-1 2HMC s         0     CMC
CONNECT  BPB-1 3HMC s         0     CMC
CONNECT  BPB-1 1HAC s         0     CAC
CONNECT  BPB-1 1HBC s         0     CBC
CONNECT  BPB-1 2HBC s         0     CBC
CONNECT  BPB-1 3HBC s         0     CBC
CONNECT  BPB-1 1HMD s         0     CMD
CONNECT  BPB-1 2HMD s         0     CMD
CONNECT  BPB-1 3HMD s         0     CMD
CONNECT  BPB-1  HBD s         0     CBD
CONNECT  BPB-1 1HED s         0     CED
CONNECT  BPB-1 2HED s         0     CED
CONNECT  BPB-1 3HED s         0     CED
CONNECT  BPB-1 1H1  s         0     C1
CONNECT  BPB-1 2H1  s         0     C1
CONNECT  BPB-1  H2  s         0     C2



RADIUS   BPB   C3   1.800000
RADIUS   BPB   C4   1.800000
RADIUS   BPB   C5   1.800000
RADIUS   BPB   C6   1.800000
RADIUS   BPB   C7   1.800000
RADIUS   BPB   C8   1.800000
RADIUS   BPB   C9   1.800000
RADIUS   BPB   C10  1.800000
RADIUS   BPB   C11  1.800000
RADIUS   BPB   C12  1.800000
RADIUS   BPB   C13  1.800000
RADIUS   BPB   C14  1.800000
RADIUS   BPB   C15  1.800000
RADIUS   BPB   C16  1.800000
RADIUS   BPB   C17  1.800000
RADIUS   BPB   C18  1.800000
RADIUS   BPB   C19  1.800000
RADIUS   BPB   C20  1.800000
RADIUS   BPB   CHA  1.800000
RADIUS   BPB   CHB  1.800000
RADIUS   BPB   CHC  1.800000
RADIUS   BPB   CHD  1.200000
RADIUS   BPB   N A  1.500000
RADIUS   BPB   C1A  1.800000
RADIUS   BPB   C2A  1.800000
RADIUS   BPB   C3A  1.800000
RADIUS   BPB   C4A  1.800000
RADIUS   BPB   CMA  1.800000
RADIUS   BPB   CAA  1.800000
RADIUS   BPB   CBA  1.800000
RADIUS   BPB   CGA  1.800000
RADIUS   BPB   O1A  1.600000
RADIUS   BPB   O2A  1.600000
RADIUS   BPB   N B  1.500000
RADIUS   BPB   C1B  1.800000
RADIUS   BPB   C2B  1.800000
RADIUS   BPB   C3B  1.800000
RADIUS   BPB   C4B  1.800000
RADIUS   BPB   CMB  1.800000
RADIUS   BPB   CAB  1.800000
RADIUS   BPB   OBB  1.600000
RADIUS   BPB   CBB  1.800000
RADIUS   BPB   N C  1.800000
RADIUS   BPB   C1C  1.800000
RADIUS   BPB   C2C  1.800000
RADIUS   BPB   C3C  1.800000
RADIUS   BPB   C4C  1.800000
RADIUS   BPB   CMC  1.800000
RADIUS   BPB   CAC  1.800000
RADIUS   BPB   CBC  1.800000
RADIUS   BPB   N D  1.500000
RADIUS   BPB   C1D  1.800000
RADIUS   BPB   C2D  1.800000
RADIUS   BPB   C3D  1.800000
RADIUS   BPB   C4D  1.800000
RADIUS   BPB   CMD  1.800000
RADIUS   BPB   CAD  1.800000
RADIUS   BPB   OBD  1.600000
RADIUS   BPB   CBD  1.800000
RADIUS   BPB   CGD  1.800000
RADIUS   BPB   O1D  1.600000
RADIUS   BPB   O2D  1.600000
RADIUS   BPB   CED  1.800000
RADIUS   BPB   C1   1.800000
RADIUS   BPB   C2   1.800000
RADIUS   BPB   HNB  1.200000
RADIUS   BPB   HND  1.500000
RADIUS   BPB   HHB  1.200000
RADIUS   BPB   HHC  1.200000
RADIUS   BPB   HHD  1.200000
RADIUS   BPB   H2A  1.200000
RADIUS   BPB   H3A  1.200000
RADIUS   BPB   1HMA 1.200000
RADIUS   BPB   2HMA 1.200000
RADIUS   BPB   3HMA 1.200000
RADIUS   BPB   1HAA 1.200000
RADIUS   BPB   2HAA 1.200000
RADIUS   BPB   1HBA 1.200000
RADIUS   BPB   2HBA 1.200000
RADIUS   BPB   1HMB 1.200000
RADIUS   BPB   2HMB 1.200000
RADIUS   BPB   3HMB 1.200000
RADIUS   BPB   1HBB 1.200000
RADIUS   BPB   2HBB 1.200000
RADIUS   BPB   3HBB 1.200000
RADIUS   BPB   1HMC 1.800000
RADIUS   BPB   2HMC 1.800000
RADIUS   BPB   3HMC 1.200000
RADIUS   BPB   1HAC 1.800000
RADIUS   BPB   1HBC 1.200000
RADIUS   BPB   2HBC 1.200000
RADIUS   BPB   3HBC 1.200000
RADIUS   BPB   1HMD 1.200000
RADIUS   BPB   2HMD 1.200000
RADIUS   BPB   3HMD 1.200000
RADIUS   BPB   HBD  1.200000
RADIUS   BPB   1HED 1.200000
RADIUS   BPB   2HED 1.200000
RADIUS   BPB   3HED 1.200000
RADIUS   BPB   1H1  1.200000
RADIUS   BPB   2H1  1.200000
RADIUS   BPB   H2   1.200000


CHARGE   BPBBK C3   0.000
CHARGE   BPBBK C4   0.000
CHARGE   BPBBK C5   0.000
CHARGE   BPBBK C6   0.000
CHARGE   BPBBK C7   0.000
CHARGE   BPBBK C8   0.000
CHARGE   BPBBK C9   0.000
CHARGE   BPBBK C10  0.000
CHARGE   BPBBK C11  0.000
CHARGE   BPBBK C12  0.000
CHARGE   BPBBK C13  0.000
CHARGE   BPBBK C14  0.000
CHARGE   BPBBK C15  0.000
CHARGE   BPBBK C16  0.000
CHARGE   BPBBK C17  0.000
CHARGE   BPBBK C18  0.000
CHARGE   BPBBK C19  0.000
CHARGE   BPBBK C20  0.000
CHARGE   BPB01 CHA  -0.005
CHARGE   BPB01 CHB  -0.125
CHARGE   BPB01 CHC  -0.123
CHARGE   BPB01 CHD  -0.105
CHARGE   BPB01 N A  -0.083
CHARGE   BPB01 C1A  -0.001
CHARGE   BPB01 C2A  -0.177
CHARGE   BPB01 C3A  -0.155
CHARGE   BPB01 C4A  -0.058
CHARGE   BPB01 CMA  -0.330
CHARGE   BPB01 CAA  -0.244
CHARGE   BPB01 CBA  -0.281
CHARGE   BPB01 CGA  0.394
CHARGE   BPB01 O1A  -0.410
CHARGE   BPB01 O2A  -0.282
CHARGE   BPB01 N B  0.177
CHARGE   BPB01 C1B  -0.154
CHARGE   BPB01 C2B  -0.071
CHARGE   BPB01 C3B  -0.191
CHARGE   BPB01 C4B  -0.096
CHARGE   BPB01 CMB  -0.255
CHARGE   BPB01 CAB  0.376
CHARGE   BPB01 OBB  -0.337
CHARGE   BPB01 CBB  -0.418
CHARGE   BPB01 N C  -0.161
CHARGE   BPB01 C1C  0.008
CHARGE   BPB01 C2C  -0.114
CHARGE   BPB01 C3C  -0.145
CHARGE   BPB01 C4C  -0.005
CHARGE   BPB01 CMC  -0.240
CHARGE   BPB01 CAC  -0.069
CHARGE   BPB01 CBC  -0.325
CHARGE   BPB01 N D  0.314
CHARGE   BPB01 C1D  -0.212
CHARGE   BPB01 C2D  0.002
CHARGE   BPB01 C3D  -0.227
CHARGE   BPB01 C4D  -0.216
CHARGE   BPB01 CMD  -0.253
CHARGE   BPB01 CAD  0.418
CHARGE   BPB01 OBD  -0.295
CHARGE   BPB01 CBD  -0.169
CHARGE   BPB01 CGD  0.412
CHARGE   BPB01 O1D  -0.408
CHARGE   BPB01 O2D  -0.253
CHARGE   BPB01 CED  -0.114
CHARGE   BPB01 C1   -0.056
CHARGE   BPB01 C2   -0.354
CHARGE   BPB01 HHB  0.201
CHARGE   BPB01 HHC  0.228
CHARGE   BPB01 HHD  0.204
CHARGE   BPB01 H2A  0.181
CHARGE   BPB01 H3A  0.181
CHARGE   BPB01 1HMA 0.123
CHARGE   BPB01 2HMA 0.123
CHARGE   BPB01 3HMA 0.123
CHARGE   BPB01 1HAA 0.162
CHARGE   BPB01 2HAA 0.167
CHARGE   BPB01 1HBA 0.169
CHARGE   BPB01 2HBA 0.169
CHARGE   BPB01 1HMB 0.126
CHARGE   BPB01 2HMB 0.126
CHARGE   BPB01 3HMB 0.126
CHARGE   BPB01 1HBB 0.153
CHARGE   BPB01 2HBB 0.153
CHARGE   BPB01 3HBB 0.153
CHARGE   BPB01 1HMC 0.127
CHARGE   BPB01 2HMC 0.127
CHARGE   BPB01 3HMC 0.127
CHARGE   BPB01 1HAC 0.136
CHARGE   BPB01 1HBC 0.126
CHARGE   BPB01 2HBC 0.126
CHARGE   BPB01 3HBC 0.126
CHARGE   BPB01 1HMD 0.129
CHARGE   BPB01 2HMD 0.129
CHARGE   BPB01 3HMD 0.129
CHARGE   BPB01 HBD  0.205
CHARGE   BPB01 1HED 0.110
CHARGE   BPB01 2HED 0.110
CHARGE   BPB01 3HED 0.110
CHARGE   BPB01 1H1  0.133
CHARGE   BPB01 2H1  0.133
CHARGE   BPB01 H2   0.140
CHARGE   BPB01 HND  0.156
CHARGE   BPB01 HNB  0.169
CHARGE   BPB-1 CHA  -0.110
CHARGE   BPB-1 CHB  -0.319
CHARGE   BPB-1 CHC  -0.015
CHARGE   BPB-1 CHD  -0.166
CHARGE   BPB-1 N A  -0.216
CHARGE   BPB-1 C1A  0.065
CHARGE   BPB-1 C2A  -0.177
CHARGE   BPB-1 C3A  -0.167
CHARGE   BPB-1 C4A  0.067
CHARGE   BPB-1 CMA  -0.332
CHARGE   BPB-1 CAA  -0.246
CHARGE   BPB-1 CBA  -0.282
CHARGE   BPB-1 CGA  0.387
CHARGE   BPB-1 O1A  -0.403
CHARGE   BPB-1 O2A  -0.288
CHARGE   BPB-1 N B  0.207
CHARGE   BPB-1 C1B  -0.041
CHARGE   BPB-1 C2B  -0.122
CHARGE   BPB-1 C3B  -0.176
CHARGE   BPB-1 C4B  -0.180
CHARGE   BPB-1 CMB  -0.247
CHARGE   BPB-1 CAB  0.376
CHARGE   BPB-1 OBB  -0.343
CHARGE   BPB-1 CBB  -0.423
CHARGE   BPB-1 N C  -0.286
CHARGE   BPB-1 C1C  0.016
CHARGE   BPB-1 C2C  -0.275
CHARGE   BPB-1 C3C  0.014
CHARGE   BPB-1 C4C  0.014
CHARGE   BPB-1 CMC  -0.202
CHARGE   BPB-1 CAC  -0.411
CHARGE   BPB-1 CBC  -0.232
CHARGE   BPB-1 N D  0.384
CHARGE   BPB-1 C1D  -0.220
CHARGE   BPB-1 C2D  -0.033
CHARGE   BPB-1 C3D  -0.290
CHARGE   BPB-1 C4D  -0.201
CHARGE   BPB-1 CMD  -0.240
CHARGE   BPB-1 CAD  0.435
CHARGE   BPB-1 OBD  -0.353
CHARGE   BPB-1 CBD  -0.139
CHARGE   BPB-1 CGD  0.402
CHARGE   BPB-1 O1D  -0.409
CHARGE   BPB-1 O2D  -0.259
CHARGE   BPB-1 CED  -0.115
CHARGE   BPB-1 C1   -0.057
CHARGE   BPB-1 C2   -0.353
CHARGE   BPB-1 HHB  0.197
CHARGE   BPB-1 HHC  0.206
CHARGE   BPB-1 HHD  0.201
CHARGE   BPB-1 H2A  0.172
CHARGE   BPB-1 H3A  0.165
CHARGE   BPB-1 1HMA 0.116
CHARGE   BPB-1 2HMA 0.116
CHARGE   BPB-1 3HMA 0.116
CHARGE   BPB-1 1HAA 0.164
CHARGE   BPB-1 2HAA 0.164
CHARGE   BPB-1 1HBA 0.166
CHARGE   BPB-1 2HBA 0.166
CHARGE   BPB-1 1HMB 0.118
CHARGE   BPB-1 2HMB 0.118
CHARGE   BPB-1 3HMB 0.118
CHARGE   BPB-1 1HBB 0.148
CHARGE   BPB-1 2HBB 0.148
CHARGE   BPB-1 3HBB 0.148
CHARGE   BPB-1 1HMC 0.102
CHARGE   BPB-1 2HMC 0.102
CHARGE   BPB-1 3HMC 0.102
CHARGE   BPB-1 1HAC 0.093
CHARGE   BPB-1 1HBC 0.081
CHARGE   BPB-1 2HBC 0.081
CHARGE   BPB-1 3HBC 0.081
CHARGE   BPB-1 1HMD 0.116
CHARGE   BPB-1 2HMD 0.116
CHARGE   BPB-1 3HMD 0.116
CHARGE   BPB-1 HBD  0.186
CHARGE   BPB-1 1HED 0.104
CHARGE   BPB-1 2HED 0.104
CHARGE   BPB-1 3HED 0.104
CHARGE   BPB-1 1H1  0.132
CHARGE   BPB-1 2H1  0.132
CHARGE   BPB-1 H2   0.130
CHARGE   BPB-1 HND  0.146
CHARGE   BPB-1 HNB  0.186
